4Q73
Crystal Structure of Bradyrhizobium japonicum Proline Utilization A (PutA) Mutant D778Y
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-15 |
Detector | NOIR-1 |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 166.117, 195.072, 108.390 |
Unit cell angles | 90.00, 121.45, 90.00 |
Refinement procedure
Resolution | 46.401 - 2.300 |
R-factor | 0.1975 |
Rwork | 0.195 |
R-free | 0.23470 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3haz |
RMSD bond length | 0.009 |
RMSD bond angle | 1.106 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.401 | 46.401 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.039 | 0.524 | |
Total number of observations | 15580 | 71993 | |
Number of reflections | 130019 | ||
<I/σ(I)> | 10 | 13.8 | 1.5 |
Completeness [%] | 99.9 | 99.6 | 100 |
Redundancy | 3.7 | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293 | 1.8M AMMONIUM SULFATE, 0.1 M TRIS, PH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |